Vitas-M small molecule compound

2-tert-butyl 4-ethyl 3-methyl-5-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate

Catalog ID
STK898035
SMILES CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H27N3O5S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5S/c1-7-31-22(29)18-14(2)19(23(30)32-24(4,5)6)33-20(18)25-13-17-15(3)26-27(21(17)28)16-11-9-8-10-12-16/h8-13,25H,7H2,1-6H3/b17-13+
InChIKey
HKNIJQZPPOELLE-GHRIWEEISA-N
Synonyms

2Otertbutyl4Oethyl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
2tertbutyl4ethyl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)(C)C
InChI=1SC24H27N3O5Sc173122(29)1814(2)19(23(30)3224(45)6)3320(18)25131715(3)2627(21(17)28)161198101216h81325H7H216H3b1713+
MFCD18172794
ZINC000044827051
ZINC44827051

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Available files

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